2-Butanone, 3-(p-(2H-indazol-2-yl)phenyl)-
Basic information
- CAS
81265-76-1- Standard SMILES
CC(=O)C(C)c1ccc(-n2cc3ccccc3n2)cc1- InChIKey
DLKTWZOVHCSFFI-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- 2-Butanone, 3-(p-(2H-indazol-2-yl)phenyl)-
- IUPAC
- 3-(4-indazol-2-ylphenyl)butan-2-one
Names & synonyms
M.G. 188853-(p-(2H-Indazol-2-yl)phenyl)-2-butanone2-BUTANONE, 3-(p-(2H-INDAZOL-2-YL)PHENYL)-81265-76-1RefChem:2578023-[4-(2H-indazol-2-yl)phenyl]butan-2-oneDTXSID501001898
Database identifiers
- CAS
81265-76-1- PubChem CID
- 54729
- DTXSID
DTXSID501001898- Nikkaji
- J70.076B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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